SCHEMBL3355973

SCHEMBL3355973

CCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(S(=O)(=O)O)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.60
PTGS1 P23219 4/20 0.60
MALT1 Q9UDY8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
PTPN11 Q06124 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CHRNA7 P36544 1/20 0.44
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4243872 0.90 PTGS2 (0.61) PTGS2PTGS1MALT1
SCHEMBL4245103 0.89 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA4
SCHEMBL4026247 0.88 PTGS1 (0.76) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL3358808 0.87 PTGS2 (0.55) PTGS2PTGS1MALT1L3MBTL1PTPN11
SCHEMBL4245198 0.81 PTGS2 (0.57) PTGS2PTGS1MALT1CA1CA2
SCHEMBL3353074 0.79 PTGS2 (0.58) PTGS2PTGS1MALT1CA1CA2
SCHEMBL3355654 0.79 PTGS2 (0.77) PTGS2PTGS1MALT1L3MBTL1CA1
SCHEMBL4032188 0.78 PTGS1 (0.72) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL4248349 0.78 PTGS2 (0.75) PTGS2PTGS1CA1CA2CA4
SCHEMBL6132198 0.77 PTGS2 (0.62) PTGS2PTGS1MALT1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4532283-B2 2010-08-25 JP claimed
EP-1565447-A4 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORP (KR) 2005-11-16 EP claimed
EP-1565447-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 EP claimed
WO-2004048347-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 WO claimed
EP-1565447-A4 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORP (KR) 2005-11-16 EP disclosed
EP-1565447-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 EP disclosed
WO-2004048347-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 WO disclosed